Geometry & MOs

Info

ID:	289297
PubChem CID:	104344398
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	6.71
IP(EA), eV:	-9.36(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-(oxan-4-ylmethoxy)-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)COC)OC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations